mp-18321/Hg2Te2O7/harm

Harmonic properties

../../_images/fig_bandos_pr13838.png

(a) Phonon dispersion with participation ratio and DOS

../../_images/fig_bandos18238.png

(b) Phonon dispersion and DOS

../../_images/fig_thermo13838.png

(c) Thermodynamic properties

Force constants

../../_images/fig_fc213466.png

(a) Force constants w.r.t atomic distance

Summary

../../_images/fig_times23209.png

(a) Computation time